4-Methylnitrosopiperidine

Base Information

• Chemical Name: 4-Methylnitrosopiperidine
• CAS No.: 15104-03-7
• Molecular Formula: C₆H₁₂N₂O
• Molecular Weight: 128.174
• Hs Code.: 2933399090
• European Community (EC) Number: 872-646-9
• UNII: TDD4C96NUV
• DSSTox Substance ID: DTXSID60164697
• Nikkaji Number: J973C
• Wikidata: Q83033768
• ChEMBL ID: CHEMBL164491
• Mol file: 15104-03-7.mol

Synonyms:4-Methylnitrosopiperidine;4-Methyl-1-nitrosopiperidine;15104-03-7;1-Nitroso-4-pipecoline;4-PIPECOLINE, 1-NITROSO-;BRN 1342086;Piperidine, 4-methyl-1-nitroso-;TDD4C96NUV;5-20-04-00140 (Beilstein Handbook Reference);UNII-TDD4C96NUV;nitrosyl(4-methylpiperidine);1-Nitroso-4-methylpiperidine;CHEMBL164491;SCHEMBL24410520;DTXSID60164697;NITROSO-4-PIPECOLINE, 1-;4-METHYL-N-NITROSOPIPERIDINE;AKOS006277091;LS-109833;EN300-7605863

Chemical Property of 4-Methylnitrosopiperidine

Chemical Property:

• Vapor Pressure: 0.0884mmHg at 25°C
• Refractive Index: 1.4880 (estimate)
• Boiling Point: 232.7°Cat760mmHg
• PKA: -3.14±0.40(Predicted)
• Flash Point: 94.6°C
• PSA: 32.67000
• Density: 1.14g/cm³
• LogP: 1.33760
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Sparingly)
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 128.094963011
• Heavy Atom Count: 9
• Complexity: 97.2

Purity/Quality:

99% ^*data from raw suppliers

4-METHYLNITROSOPIPERIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitrosamines
• Canonical SMILES: CC1CCN(CC1)N=O
• Uses: 4-Methyl-1-nitrosopiperidine is used in the production of bio-fuels and bio-chemicals by microwave-assisted, hydrothermal liquefaction of brewers spent grains.

Technology Process of 4-Methylnitrosopiperidine

There total 2 articles about 4-Methylnitrosopiperidine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 84.0%

4-methylpiperidin (626-58-4) → N-Nitroso-4-methyl-piperidin (15104-03-7)

Guidance literature:

With Iron(III) nitrate nonahydrate; tetrabutylammonium perchlorate; In acetonitrile; at 70 ℃; Inert atmosphere; Electrolysis; Green chemistry;

DOI:10.1002/adsc.202000267

Reference yield:

→ N-Nitroso-4-methyl-piperidin (15104-03-7)

Guidance literature:

4-Methylpiperidin, aq. HCl, NaNO2;

upstream raw materials:

4-methylpiperidin

Refernces

• 1、 Zhao, Ji-Ping,Ding, Lu-jia,Wang, Peng-Cheng,Liu, Ying,Huang, Min-Jun,Zhou, Xin-Li,Lu, Ming. "Electrochemical Nonacidic N-Nitrosation/N-Nitration of Secondary Amines through a Biradical Coupling Reaction". supporting information. p. 5036 - 5043. Retrieved 2020/07/13.